7Q4H

A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 43 2 2
Unit cell lengths	84.808, 84.808, 157.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.984 - 2.000
R-factor	0.18567197857
Rwork	0.184
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo structure
RMSD bond length	0.005
RMSD bond angle	0.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	38930	2422
<I/σ(I)>	24	4.2
Completeness [%]	98.1
Redundancy	5.1
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	2.4M Ammonium Sulfate, 0.1M Tris